Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK568968
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H24N2O6 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O6/c1-2-11-34-21-7-3-6-19(14-21)25-24(26(31)20-8-9-22-23(15-20)36-13-12-35-22)27(32)28(33)30(25)17-18-5-4-10-29-16-18/h2-10,14-16,25,31H,1,11-13,17H2/b26-24+InChIKey
MHXIPVVEAZFIMY-SHHOIMCASA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PROP2ENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(45dioxo2(3(prop2en1yloxy)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(45DIOXO2(3PROP2ENOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CN=CC=C5
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC28H24N2O6c1211342173619(1421)2524(26(31)20892223(1520)3613123522)27(32)28(33)30(25)17185410291618h21014162531H1111317H2b2624+
MFCD18245262
ZINC000101313975
ZINC000101313978
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